Accord 08271317192D 176186 0 0 0 0 0 0 0 0999 V2000 24.4168 7.1745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8378 7.5078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2587 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7515 6.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0820 6.5954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4755 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4755 5.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8966 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1530 8.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5150 8.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3133 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7296 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1460 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5624 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9789 6.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6748 7.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0912 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5076 7.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9239 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3402 7.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7568 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1731 7.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5895 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9789 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5895 6.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9500 6.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3105 6.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6710 6.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0315 6.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3921 6.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3450 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7111 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0772 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4433 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8094 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1756 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9078 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2739 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6400 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0061 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3722 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7384 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1045 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4706 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8367 5.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4705 9.0910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7263 9.3038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9775 9.1076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5905 9.7779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3347 9.5653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9886 9.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8175 8.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4137 9.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1744 9.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0835 9.7613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3923 10.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6449 9.3341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9007 9.5468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1520 9.3507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7649 10.0210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5091 9.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1631 10.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9920 9.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5882 9.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7562 10.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2580 10.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5667 10.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8142 8.8093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0700 9.0221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3213 8.8260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9342 9.4963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6784 9.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3324 9.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1613 8.6865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7575 8.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5182 9.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4273 9.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7360 9.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0565 8.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3151 8.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7194 8.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9887 9.0524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2445 9.2652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4957 9.0690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1087 9.7393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8529 9.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5068 9.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3357 8.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9319 9.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1000 10.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6017 9.7228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9105 9.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1580 8.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4138 8.7405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6650 8.5443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2780 9.2146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0222 9.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6761 9.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5050 8.4049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1012 8.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8620 8.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7710 9.1981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0798 9.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4003 8.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6588 8.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 8.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3324 8.7708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5882 8.9836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8395 8.7874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4524 9.4577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1966 9.2451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8506 9.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6795 8.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2757 8.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4437 9.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9455 9.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 9.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2722 8.6480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9360 8.0659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2858 8.2362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4767 8.0515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9756 8.6336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5438 8.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 8.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 7.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4767 7.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6259 8.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6239 9.0200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8751 8.8243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3304 8.2744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6561 8.6543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4049 8.8501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0053 8.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 8.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 8.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 9.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9496 9.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 9.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3809 10.4864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8487 11.0483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1044 11.2606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1124 12.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6447 11.4728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4486 11.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7564 10.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6960 11.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6320 12.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3891 11.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9340 11.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5831 10.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7113 10.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2929 10.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1025 11.8360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5703 12.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8259 12.6103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8340 13.3843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3663 12.8224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1701 13.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4780 12.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4176 13.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0484 13.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1107 12.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6556 13.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0707 12.0627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7345 11.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0844 11.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2752 11.4662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7741 12.0483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3423 11.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2241 11.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7443 11.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2752 11.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4244 11.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 117131 1 0 0 0 0 142143 1 1 0 0 0 144143 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 142151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 153154 1 0 0 0 0 153155 2 0 0 0 0 95142 1 0 0 0 0 156157 1 1 0 0 0 158157 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 156165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 161166 1 0 0 0 0 150156 1 0 0 0 0 167168 1 1 0 0 0 168169 1 1 0 0 0 170169 1 1 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 171176 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 167176 1 0 0 0 0 162167 1 0 0 0 0 M END > LMISSP0505EB05 > > Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C114H202N4O56 > 2523.31 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261744 > - > - > Active (generated by computational methods) > - $$$$